K781-6319 Screening compound: N-(3,4-dichlorophenyl)-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluorobenzamide

K781-6319 Screening compound: N-(3,4-dichlorophenyl)-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluorobenzamide
K781-6319 Screening compound: N-(3,4-dichlorophenyl)-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-6319
N-(3,4-dichlorophenyl)-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluorobenzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K781-6319

Molecular Formula

C20H19Cl2FN2O5S (C20 H19 Cl2 FN2 O5 S)

Compound Name

N-(3,4-dichlorophenyl)-3-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluorobenzamide

IUPAC name

N-(34-dichlorophenyl)-3-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-4-fluorobenzamide

SMILES

O=C(c(cc1)cc(S(N(CC2)CCC22OCCO2)(=O)=O)c1F)Nc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C20H19Cl2FN2O5S/c21-15-3-2-14(12-16(15)22)24-19(26)13-1-4-17(23)18(11-13)31(27,28)25-7-5-20(6-8-25)29-9-10-30-20/h1-4,11-12H,5-10H2,(H,24,26)

InChI Key

HRGAQPULJHYMTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.213

Distribution Coefficient, logD

2.735

Water Solubility, LogSw

-4.51

Polar Surface Area

69.477

Acid Dissociation Constant (pKa)

5.94

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

K781-6319 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K781-6319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-6319?
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What is the minimum amount of K781-6319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-6319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-6319
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K781-6319 available by request